============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 6 1.000 41.155 1.846 0.595 -99.200 -91.000 TYR 23 0.840 43.224 -7.587 2.374 -99.200 -91.000 HIS 38 0.900 50.013 13.591 -6.739 -99.200 -91.000 TRP 43 1.040 55.023 2.811 0.082 -99.200 -91.000 TRP6 43 1.020 52.838 2.929 -0.803 -99.200 -91.000 TRP 53 1.040 43.057 -0.756 9.146 -99.200 -91.000 TRP6 53 1.020 45.147 -1.781 9.550 -99.200 -91.000 PHE 65 1.000 45.074 11.467 0.780 -99.200 -91.000 PHE 67 1.000 44.912 4.608 1.389 -99.200 -91.000 PHE 69 1.000 44.997 -2.286 1.440 -99.200 -91.000 PHE 79 1.000 43.739 -2.415 -3.901 -99.200 -91.000 PHE 87 1.000 39.678 13.192 3.474 -99.200 -91.000 TYR 93 0.840 36.311 8.219 -1.485 -99.200 -91.000 PHE 100 1.000 49.257 -14.504 -7.729 -99.200 -91.000